Fluoromethylene

• Formula: CHF
• Molecular weight: 32.0170
• IUPAC Standard InChI: InChI=1S/CHF/c1-2/h1H Copy

  
• IUPAC Standard InChIKey: YUCFVHQCAFKDQG-UHFFFAOYSA-N Copy
• CAS Registry Number: 13453-52-6
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Information on this page:
  • Gas phase ion energetics data
  • Vibrational and/or electronic energy levels
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Reaction thermochemistry data
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Gas phase ion energetics data

Go To: Top, Vibrational and/or electronic energy levels, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
B - John E. Bartmess

View reactions leading to CHF⁺ (ion structure unspecified)

Electron affinity determinations

Ionization energy determinations

Appearance energy determinations

Vibrational and/or electronic energy levels

Go To: Top, Gas phase ion energetics data, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Marilyn E. Jacox

State:   E ³p

State:   B

State:   A

State:   a

State:   X

Additional references: Jacox, 1994, page 42; Jacox, 1998, page 148; Jacox, 2003, page 36; Ashfold, Castano, et al., 1980; Suzuki, Saito, et al., 1981; Butcher, Saito, et al., 1984; Suzuki, Saito, et al., 1984; Ibuki, Hiraya, et al., 1990; Wagner, Gamperling, et al., 2000; Fan, Ionescu, et al., 2003; Tao, Deselnicu, et al., 2006; Dawes, Jasper, et al., 2010

Notes

References

Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Gilles, Ervin, et al., 1992
Gilles, M.K.; Ervin, K.M.; Ho, J.; Lineberger, W.C., Negative Ion Photoelectron Spectroscopy of HCF-, HCCl-, HCBr-, and HCI- - Photoelectron Angular Distributions and Neutral Triplet Excitation, J. Phys. Chem., 1992, 96, 3, 1130, https://doi.org/10.1021/j100182a021 . [all data]

Murray, Leopold, et al., 1988
Murray, K.K.; Leopold, D.G.; Miller, T.M.; Lineberger, W.C., Photoelectron Spectroscopy of the Halocarbene Anions HCF^-, HCCl^-, HCBr^-, HCI^-, CF₂^-, and CCl₂^-, J. Chem. Phys., 1988, 89, 9, 5442, https://doi.org/10.1063/1.455596 . [all data]

Irikura, Hudgens, et al., 1995
Irikura, K.K.; Hudgens, J.W.; Johnson, R.D., III, Spectroscopy of the fluoromethylene radicals HCF and DCF by 2+1 resonance enhanced multiphoton ionization spectroscopy and by ab initio calculation, J. Chem. Phys., 1995, 103, 1303. [all data]

Goto, Nakamura, et al., 1994
Goto, M.; Nakamura, K.; Toyoda, H.; Sugai, H., Cross section measurements for electron-impact dissociation of CHF₃ into neutral and ionic fragments, Jpn. J. Appl. Phys. Part 1, 1994, 33, 3602. [all data]

Lias, Karpas, et al., 1985
Lias, S.G.; Karpas, Z.; Liebman, J.F., Halomethylenes: Effects of halogen substitution on absolute heats of formation, J. Am. Chem. Soc., 1985, 107, 6089. [all data]

Tao, Reid, et al., 2007
Tao, C.; Reid, S.A.; Schmidt, T.W.; Kable, S.H., Observation of the predissociated, quasilinear B([sup 1]A[sup ´]) state of CHF by optical-optical double resonance, J. Chem. Phys., 2007, 126, 5, 051105, https://doi.org/10.1063/1.2515273 . [all data]

Tao, Richmond, et al., 2011
Tao, C.; Richmond, C.; Mukarakate, C.; Dawes, R.; Kable, S.H.; Reid, S.A., Optical-optical double resonance spectroscopy of the quasi-linear S2 state of CHF and CDF. I. Spectroscopic analysis, J. Chem. Phys., 2011, 135, 10, 104315, https://doi.org/10.1063/1.3633724 . [all data]

Merer and Travis, 1966
Merer, A.J.; Travis, D.N., ROTATIONAL ANALYSIS OF BANDS OF THE HCF MOLECULE, Can. J. Phys., 1966, 44, 7, 1541, https://doi.org/10.1139/p66-127 . [all data]

Patel, Stewart, et al., 1980
Patel, R.I.; Stewart, G.W.; Castleton, K.; Gole, J.L.; Lombardi, J.R., Chemiluminescence study of methane---fluorine combustion: Observation and analysis of HCF 1A´´-1A´, Chem. Phys., 1980, 52, 3, 461, https://doi.org/10.1016/0301-0104(80)85248-7 . [all data]

Kakimoto, Saito, et al., 1981
Kakimoto, M.; Saito, S.; Hirota, E., Doppler-limited dye laser excitation spectroscopy of HCF, J. Mol. Spectrosc., 1981, 88, 2, 300, https://doi.org/10.1016/0022-2852(81)90181-8 . [all data]

Qiu, Zhou, et al., 1987
Qiu, Y.; Zhou, S.; Shi, J., Laser-induced fluorescence of HCF and HCCl, Chem. Phys. Lett., 1987, 136, 1, 93, https://doi.org/10.1016/0009-2614(87)87304-9 . [all data]

Schmidt, Bacskay, et al., 1999
Schmidt, T.W.; Bacskay, G.B.; Kable, S.H., Characterization of the A([sup 1]A[sup ´´]) state of HCF by laser induced fluorescence spectroscopy, J. Chem. Phys., 1999, 110, 23, 11277, https://doi.org/10.1063/1.479068 . [all data]

Nauta, Guss, et al., 2004
Nauta, K.; Guss, J.S.; Owens, N.L.; Kable, S.H., Reassignment of the CH stretching frequency of CHF in the A electronic state, J. Chem. Phys., 2004, 120, 7, 3517, https://doi.org/10.1063/1.1641011 . [all data]

Fan, Ionescu, et al., 2004
Fan, H.; Ionescu, I.; Annesley, C.; Cummins, J.; Bowers, M.; Xin, J.; Reid, S.A., On the Renner-Teller Effect and Barriers to Linearity and Dissociation in HCF(Ã, J. Phys. Chem. A, 2004, 108, 17, 3732, https://doi.org/10.1021/jp049828o . [all data]

Fan, Mukarakate, et al., 2005
Fan, H.; Mukarakate, C.; Deselnicu, M.; Tao, C.; Reid, S.A., Dispersed fluorescence spectroscopy of jet-cooled HCF and DCF: Vibrational structure of the X [sup 1]A[sup ´] state, J. Chem. Phys., 2005, 123, 1, 014314, https://doi.org/10.1063/1.1948387 . [all data]

Jacox and Milligan, 1969
Jacox, M.E.; Milligan, D.E., Matrix-Isolation Study of the Vacuum-Ultraviolet Photolysis of Methyl Fluoride. The Infrared Spectra of the Free Radicals CF, HCF, and H2CF, J. Chem. Phys., 1969, 50, 8, 3252, https://doi.org/10.1063/1.1671548 . [all data]

Hakuta, 1984
Hakuta, K., Vibration-rotation spectrum of HCF () by laser-induced fluorescence, J. Mol. Spectrosc., 1984, 106, 1, 56, https://doi.org/10.1016/0022-2852(84)90082-1 . [all data]

Suzuki and Hirota, 1988
Suzuki, T.; Hirota, E., Optical--optical double resonance (stimulated emission pumping) spectroscopy of HCF, J. Chem. Phys., 1988, 88, 11, 6778, https://doi.org/10.1063/1.454423 . [all data]

Mukarakete, Tao, et al., 2008
Mukarakete, C.; Tao, C.; Jordan, C.D.; Polik, W.F.; Reid, S.A., Stimulated Emission Pumping Spectroscopyof the [X], J. Phys. Chem. A, 2008, 112, 3, 466, https://doi.org/10.1021/jp077108m . [all data]

Wu, Chen, et al., 2010
Wu, Y.-J.; Chen, H.-F.; Chou, S.-L.; Lin, M.-Y.; Cheng, B.M., Vacuum-ultraviolet photolysis of H3CF in solid neon: Infrared spectra of HCF and CF+, Chem. Phys. Lett., 2010, 497, 1-3, 12, https://doi.org/10.1016/j.cplett.2010.07.087 . [all data]

Jacox, 1994
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]

Jacox, 1998
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement A, J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017 . [all data]

Jacox, 2003
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement B, J. Phys. Chem. Ref. Data, 2003, 32, 1, 1-441, https://doi.org/10.1063/1.1497629 . [all data]

Ashfold, Castano, et al., 1980
Ashfold, M.N.R.; Castano, F.; Hancock, G.; Ketley, G.W., Laser-induced fluorescence of the CHF radical, Chem. Phys. Lett., 1980, 73, 3, 421, https://doi.org/10.1016/0009-2614(80)80686-5 . [all data]

Suzuki, Saito, et al., 1981
Suzuki, T.; Saito, S.; Hirota, E., Doppler-limited dye laser excitation spectroscopy of DCF, J. Mol. Spectrosc., 1981, 90, 2, 447, https://doi.org/10.1016/0022-2852(81)90138-7 . [all data]

Butcher, Saito, et al., 1984
Butcher, R.J.; Saito, S.; Hirota, E., Magnetic properties of the A 1A´´ state of HCF, J. Chem. Phys., 1984, 80, 9, 4000, https://doi.org/10.1063/1.447271 . [all data]

Suzuki, Saito, et al., 1984
Suzuki, T.; Saito, S.; Hirota, E., Rotational perturbations and the Zeeman effect in the band of HCF, Can. J. Phys., 1984, 62, 12, 1328, https://doi.org/10.1139/p84-180 . [all data]

Ibuki, Hiraya, et al., 1990
Ibuki, T.; Hiraya, A.; Shobatake, K.; Matsumi, Y.; Kawasaki, M., Vacuum ultraviolet photochemistry of CHFCl2 and CHFBr2: Absorption spectra and CHF(A 1A') radical formation, J. Chem. Phys., 1990, 92, 7, 4277, https://doi.org/10.1063/1.457787 . [all data]

Wagner, Gamperling, et al., 2000
Wagner, M.; Gamperling, M.; Braun, D.; Prohaska, M.; Huttner, W., Rotational transitions and electric dipole moment of fluorocarbene, HCF, J. Mol. Struct., 2000, 517/518, 327, https://doi.org/10.1016/S0022-2860(99)00295-1 . [all data]

Fan, Ionescu, et al., 2003
Fan, H.; Ionescu, I.; Annesley, C.; Reid, S.A., Lifetime lengthening and the Renner--Teller effect in the HCF system, Chem. Phys. Lett., 2003, 378, 5-6, 548, https://doi.org/10.1016/j.cplett.2003.08.007 . [all data]

Tao, Deselnicu, et al., 2006
Tao, C.; Deselnicu, M.; Fan, H.; Mukarakate, C.; Ionescu, I.; Reid, S.A., Electronic spectroscopy of the Ã1A´´← X1A´ system of CDF, Phys. Chem. Chem. Phys., 2006, 8, 6, 707, https://doi.org/10.1039/b514826j . [all data]

Dawes, Jasper, et al., 2010
Dawes, R.; Jasper, A.W.; Tao, C.; Richmold, C.; Mukarakate, C.; Kable, S.H.; Reid, S.A., Theoretical and Experimental Spectroscopy of the S, J. Phys. Chem. Lett., 2010, 1, 3, 641, https://doi.org/10.1021/jz900380a . [all data]

Notes

Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References

• Symbols used in this document:
  

  AE	Appearance energy
  EA	Electron affinity
  IE (evaluated)	Recommended ionization energy

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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